MOLECULAR SIMULATIONS AS A TOOL FOR PREDICTING PHASE-EQUILIBRIA AND TRANSPORT-PROPERTIES OF FLUIDS

We briefly review the molecular simulation methods which can be used t o predict thermophysical properties of fluids and fluid mixtures. it i s shown in this paper, on the one hand, how the Gibbs Ensemble Monte C arlo Method allows phase behavior predictions for real fluids under co nditions for which experimental data are difficult or impossible to ob tain. On the other hand, the molecular dynamics methods used for predi cting transport properties of molecular fluids are described. Finally we discuss possible future applications of these methods.